按“信号通路”分类 - 小分子和化合物库

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亚甲基蓝
- ≥70%
CAS号 : 61-73-4 Compound CID : 6099

分子式: C₁₆H₁₈ClN₃S 分子量: 319.85

IUPAC Name: [7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;chloride

SMILES: CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]

InChIKey: CXKWCBBOMKCUKX-UHFFFAOYSA-M

InChI: InChI=1S/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1
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油酸酰胺
- ≥70%
CAS号 : 301-02-0 Compound CID : 5283387

分子式: C₁₈H₃₅NO 分子量: 281.48

IUPAC Name: (Z)-octadec-9-enamide

SMILES: CCCCCCCCC=CCCCCCCCC(=O)N

InChIKey: FATBGEAMYMYZAF-KTKRTIGZSA-N

InChI: InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-
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萝卜硫素
- ≥70%
CAS号 : 4478-93-7 Compound CID : 5350

分子式: C₆H₁₁NOS₂ 分子量: 177.29

IUPAC Name: 1-isothiocyanato-4-methylsulfinylbutane

SMILES: CS(=O)CCCCN=C=S

InChIKey: SUVMJBTUFCVSAD-UHFFFAOYSA-N

InChI: InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3
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卵磷脂
- ≥70%
- from soybean
CAS号 : 8002-43-5

分子式: C₄₂H₈₀NO₈P 分子量: 758.06

IUPAC Name: [(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

SMILES: [P](=O)([O-])(OC[C@H](OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCCCCCC)OCC[N+](C)(C)C

InChIKey: JLPULHDHAOZNQI-ZTIMHPMXSA-N

InChI: InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1
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1-苄基-3-苯基硫脲
- ≥98%(HPLC)(N)
CAS号 : 726-25-0

分子式: C₁₄H₁₄N₂S 分子量: 242.34

IUPAC Name: 1-benzyl-3-phenylthiourea

SMILES: C1=CC=C(C=C1)CNC(=S)NC2=CC=CC=C2

InChIKey: NXCBDDGSOXJEFZ-UHFFFAOYSA-N

InChI: InChI=1S/C14H14N2S/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16,17)
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2,6-二甲基苯胺盐酸盐
- ≥98%(HPLC)(N)
CAS号 : 21436-98-6 Compound CID : 88899

分子式: C₈H₁₁N·HCl 分子量: 157.64

IUPAC Name: 2,6-dimethylaniline;hydrochloride

SMILES: CC1=C(C(=CC=C1)C)N.Cl

InChIKey: QNWMFJDRMZWZNN-UHFFFAOYSA-N

InChI: InChI=1S/C8H11N.ClH/c1-6-4-3-5-7(2)8(6)9;/h3-5H,9H2,1-2H3;1H
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双(2-乙己基)磺基丁二酸钠
- ≥70%
- methanol 10-20%
CAS号 : 577-11-7 Compound CID : 23673837

分子式: C₂₀H₃₇NaO₇S 分子量: 444.56

IUPAC Name: sodium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate

SMILES: CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+]

InChIKey: APSBXTVYXVQYAB-UHFFFAOYSA-M

InChI: InChI=1S/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1
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奥芬达唑
- ≥98%(HPLC)(N)
CAS号 : 53716-50-0 Compound CID : 40854

分子式: C₁₅H₁₃N₃O₃S 分子量: 315.35

IUPAC Name: methyl N-[6-(benzenesulfinyl)-1H-benzimidazol-2-yl]carbamate

SMILES: COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)C3=CC=CC=C3

InChIKey: BEZZFPOZAYTVHN-UHFFFAOYSA-N

InChI: InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
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胆绿素
- ≥70%
CAS号 : 114-25-0 Compound CID : 5280353

分子式: C₃₃H₃₄N₄O₆ 分子量: 582.65

IUPAC Name: 3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid

SMILES: CC1=C(C(=CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)NC1=CC4=NC(=O)C(=C4C)C=C)CCC(=O)O

InChIKey: RCNSAJSGRJSBKK-NSQVQWHSSA-N

InChI: InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,37,42)(H,38,39)(H,40,41)/b24-13-,27-14-,28-15-
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蔗糖铁
- ≥70%
CAS号 : 8047-67-4 Compound CID : 11377634

分子式: C₁₈H₂₄Fe₂O₂₄ 分子量: 736.06

IUPAC Name: iron(3+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate

SMILES: C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.[Fe+3].[Fe+3]

InChIKey: ADQSUDSYBZBMFT-GFPJEPEZSA-H

InChI: InChI=1S/3C6H10O8.2Fe/c3*7-1(3(9)5(11)12)2(8)4(10)6(13)14;;/h3*1-4,7-10H,(H,11,12)(H,13,14);;/q;;;2*+3/p-6/t3*1-,2-,3-,4+;;/m000../s1
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(+)-瓦伦亚烯
- ≥70%
CAS号 : 4630-07-3 Compound CID : 9855795

分子式: C₁₅H₂₄ 分子量: 204.35

IUPAC Name: (3R,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene

SMILES: CC1CCC=C2C1(CC(CC2)C(=C)C)C

InChIKey: QEBNYNLSCGVZOH-NFAWXSAZSA-N

InChI: InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13-,15+/m1/s1
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四磷酸哌喹四水合物
- ≥98%(HPLC)(N)
CAS号 : 915967-82-7 Compound CID : 49849842

分子式: C₂₉H₃₂Cl₂N₆·4H₃PO₄·4H₂O 分子量: 999.55

IUPAC Name: 7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;phosphoric acid;tetrahydrate

SMILES: C1CN(CCN1CCCN2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)C5=C6C=CC(=CC6=NC=C5)Cl.O.O.O.O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O

InChIKey: AMCQDGFOKTXHSY-UHFFFAOYSA-N

InChI: InChI=1S/C29H32Cl2N6.4H3O4P.4H2O/c30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29;4*1-5(2,3)4;;;;/h2-9,20-21H,1,10-19H2;4*(H3,1,2,3,4);4*1H2
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